HMDB0294666 RDKit 3D DG(PGD2/12:0/0:0) 103103 0 0 0 0 0 0 0 0999 V2000 14.7952 0.4885 0.7414 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9624 0.3208 -0.5178 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2799 -1.0381 -0.4001 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4226 -1.0175 0.8405 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3599 0.0305 0.8203 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3974 -0.1624 -0.3403 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3437 0.9143 -0.3058 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3845 0.7371 -1.4528 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6873 -0.5998 -1.4157 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7058 -0.7882 -2.5291 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5864 0.1865 -2.5941 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7782 0.1218 -1.3556 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0374 -0.6651 -0.3946 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6822 0.9808 -1.2674 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9049 0.9308 -0.0680 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0066 2.2102 0.6336 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4304 2.2661 1.8892 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5642 0.3315 -0.3713 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6961 0.3773 0.7037 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0679 1.4288 1.1451 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0387 2.5089 0.4996 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8860 1.2344 2.3603 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3435 1.5089 2.1936 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9701 0.5885 1.1527 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8112 -0.8242 1.5095 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8536 -1.5857 1.7014 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2691 -1.2155 1.6081 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8742 -2.1037 0.5237 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.7000 -3.5571 0.9504 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.7960 -3.5983 2.3600 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9087 -4.2730 0.4031 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7500 -3.2259 -0.2322 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5780 -3.4197 -1.1068 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3732 -1.9285 0.4119 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.6859 -0.8429 -0.5518 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3717 0.2300 -0.1091 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6837 1.3166 -1.0811 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.7712 1.3403 -2.1387 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0589 1.1306 -1.6877 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1219 1.1498 -0.5959 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4590 0.9617 -1.2515 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5917 0.9664 -0.2383 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6685 2.2568 0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1162 -0.5231 1.1259 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7022 1.0905 0.5583 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2009 0.9622 1.5349 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6075 0.3940 -1.3994 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2238 1.1522 -0.5723 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7036 -1.1848 -1.3342 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0718 -1.7954 -0.3136 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0858 -0.8325 1.6911 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9254 -1.9989 0.9984 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7665 1.0414 0.8506 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7445 -0.1121 1.7396 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9358 -0.1834 -1.2904 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8854 -1.1617 -0.2193 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7964 0.9162 0.6652 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8304 1.9033 -0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0136 0.7655 -2.3864 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6742 1.5700 -1.5195 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4751 -1.4054 -1.5901 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2718 -0.8125 -0.4236 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2617 -0.7242 -3.4938 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3299 -1.8526 -2.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0306 1.2175 -2.6397 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9290 0.0427 -3.4786 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4091 0.1591 0.6254 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6015 3.0820 0.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1037 2.4861 0.7585 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5757 1.4344 2.3878 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1366 0.8137 -1.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7921 -0.7482 -0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6686 0.2628 2.8384 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5181 1.9966 3.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4443 2.5708 1.8694 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8356 1.4082 3.1577 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3132 0.7423 0.2403 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9606 0.9058 0.8192 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8104 -1.2839 1.6254 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6665 -2.6506 1.9691 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5129 -0.1955 1.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7981 -1.5089 2.5495 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3412 -1.8701 -0.4183 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7644 -3.9987 0.6153 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7209 -3.3666 2.6003 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5081 -4.7741 1.2196 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6178 -5.0630 -0.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8360 -1.7682 1.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3932 -0.8675 -1.5894 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6735 0.2763 0.9298 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5849 2.2921 -0.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1169 0.6900 -2.8224 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2090 1.9317 -2.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0711 0.1588 -2.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0872 2.1519 -0.1405 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9355 0.3409 0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4589 -0.0775 -1.6917 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6447 1.6890 -2.0499 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5459 0.7892 -0.7739 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4262 0.0911 0.4552 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3435 3.1064 -0.1076 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0635 2.2016 1.4789 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7226 2.4508 0.8435 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 15 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 34 28 1 0 1 44 1 0 1 45 1 0 1 46 1 0 2 47 1 0 2 48 1 0 3 49 1 0 3 50 1 0 4 51 1 0 4 52 1 0 5 53 1 0 5 54 1 0 6 55 1 0 6 56 1 0 7 57 1 0 7 58 1 0 8 59 1 0 8 60 1 0 9 61 1 0 9 62 1 0 10 63 1 0 10 64 1 0 11 65 1 0 11 66 1 0 15 67 1 1 16 68 1 0 16 69 1 0 17 70 1 0 18 71 1 0 18 72 1 0 22 73 1 0 22 74 1 0 23 75 1 0 23 76 1 0 24 77 1 0 24 78 1 0 25 79 1 0 26 80 1 0 27 81 1 0 27 82 1 0 28 83 1 6 29 84 1 1 30 85 1 0 31 86 1 0 31 87 1 0 34 88 1 1 35 89 1 0 36 90 1 0 37 91 1 1 38 92 1 0 39 93 1 0 39 94 1 0 40 95 1 0 40 96 1 0 41 97 1 0 41 98 1 0 42 99 1 0 42100 1 0 43101 1 0 43102 1 0 43103 1 0 M END